2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole

C11H15N3O2 — CID 129169156

IUPAC2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole
SMILESCC(CCC(C)c1nnco1)c1ccon1
InChIInChI=1S/C11H15N3O2/c1-8(10-5-6-16-14-10)3-4-9(2)11-13-12-7-15-11/h5-9H,3-4H2,1-2H3
InChIKeyYCBPUXSCMMFNCU-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.74
Rot. Bonds5

About 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole

2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole (PubChem CID 129169156) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole
PubChem CID129169156
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole
SMILESCC(CCC(C)c1nnco1)c1ccon1
InChIInChI=1S/C11H15N3O2/c1-8(10-5-6-16-14-10)3-4-9(2)11-13-12-7-15-11/h5-9H,3-4H2,1-2H3
InChIKeyYCBPUXSCMMFNCU-UHFFFAOYSA-N
XLogP2.74
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole (CID 129169156) is 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole is CC(CCC(C)c1nnco1)c1ccon1.
What is the InChIKey of 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole?
The InChIKey is YCBPUXSCMMFNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(10-5-6-16-14-10)3-4-9(2)11-13-12-7-15-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole?
2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole has a molecular weight of 221.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,2-oxazol-3-yl)hexan-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 129169156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).